alexeyvishnyakov

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Alexey Vishnyakov

Associate Professor
Center for Computational and Data-Intensive Science and Engineering

Having obtained PhD degree in Chemistry from St. Petersburg State University (SPbGU) in 1998, Aleksey joined TRI/Princeton, a small research non-profit institute, as a staff scientist. His research focuses on the development of new molecular modeling techniques and their application to interfacial phenomena and to small systems in particular. In 2006-2017, he worked as an Assistant and Associate Research Professor at Rutgers University. Despite working as a research faculty, Aleksey was a full graduate faculty member and actively participated in developing new graduate curriculum and teaching at both graduate and undergraduate levels

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My research mostly focuses on advancing the methods of molecular simulations and applying them to interfacial phenomena. In particular, I am interested in

  • Phase behavior and transport in nanoporous materials
  • Characterization of nanoporous solids
  • Methods for advancing spatial and temporal scales of molecular simulation techniques
  • Thermodynamics and rheology of nanostructured systems
  • Making predictive molecular simulation tools available to lay audience

Key publications:

  • Vishnyakov A, Lee MT, Neimark AV. Prediction of the Critical Micelle Concentration of Nonionic Surfactants by Dissipative Particle Dynamics Simulations. J. Phys. Chem. Lett. 2013; 4(5):797-802.
  • Vishnyakov A, Neimark AV. Multicomponent gauge cell method. J. Chem. Phys. 2009;130(22).
  • Neimark AV, Ravikovitch PI, Vishnyakov A. Bridging scales from molecular simulations to classical thermodynamics: density functional theory of capillary condensation in nanopores. J. Phys. Condensed Matter. 2003; 15(3):347-65
  • Vishnyakov A, Widmalm G, Kowalewski J, Laaksonen A. Molecular dynamics simulation of the alpha-D-Manp-(1 -> 3)-beta-D-Glcp-OMe disaccharide in water and water DMSO solution. J. Am. Chem. Soc. 1999; 121(23): 5403-12
  • Ravikovitch PI, Vishnyakov A, Russo R, Neimark AV. Unified approach to pore size characterization of microporous carbonaceous materials from N-2, Ar, and CO2 adsorption isotherms. Langmuir. 2000;16(5):2311